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Home > Nitro Compounds > 65199-73-7
65199-73-7 | 2-Hexanone, 4-methyl-5-nitro-
CAS No: 65199-73-7 Catalog No: AG00H787 MDL No:
Product Description
Catalog Number:
AG00H787
Chemical Name:
2-Hexanone, 4-methyl-5-nitro-
CAS Number:
65199-73-7
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
4-methyl-5-nitrohexan-2-one
InChI:
InChI=1S/C7H13NO3/c1-5(4-6(2)9)7(3)8(10)11/h5,7H,4H2,1-3H3
InChI Key:
OVFVVZLPEOPFFL-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C([N+](=O)[O-])C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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